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	hartrees
Energy at 0K	-148.716348
Energy at 298.15K	-148.718457
HF Energy	-148.716348
Nuclear repulsion energy	60.744703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	3104	11.77
2	A₁	2134	2123	241.00
3	A₁	1401	1393	24.32
4	A₁	1176	1170	0.84
5	B₁	556	553	1.62
6	B₁	348	346	110.38
7	B₂	3240	3222	1.53
8	B₂	1086	1080	1.71
9	B₂	411	409	0.46

Atom	y (Å)	z (Å)
C1	0.000	-1.148
N2	0.000	0.152
N3	0.000	1.306
H4	0.957	-1.659
H5	-0.957	-1.659

	C1	N2	N3	H4	H5
C1		1.3002	2.4541	1.0850	1.0850
N2	1.3002		1.1539	2.0486	2.0486
N3	2.4541	1.1539		3.1158	3.1158
H4	1.0850	2.0486	3.1158		1.9142
H5	1.0850	2.0486	3.1158	1.9142

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.100
N2	C1	H5	118.100		H4	C1	H5	123.799

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.323
2	N	0.328
3	N	-0.273
4	H	0.134
5	H	0.134

	x	y	z	Total
	0.000	0.000	-1.743	1.743
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NN (diazomethane)